ChemDiv1_000489
TL;DR: ChemDiv1_000489 (CAS 300802-18-0) is a chemical compound with molecular formula C27H22BrN3O3 and molecular weight 515.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-1H-quinolin-2-one
Also Known As: ChemDiv1_000489, BAS 00108171, 3-(1-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-6-bromo-4-phenylquinolin-2(1H)-one, F0016-1343, 3-[1-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one
| Molecular Formula | C27H22BrN3O3 |
|---|---|
| Molecular Weight | 515.08 g/mol |
| LogP | 5.6638 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.0845 |
| Heavy Atoms | 34 |
| Complexity | 1477.275 |
Chemical Identifiers
| CAS Number | 300802-18-0 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC |
Product Overview
ChemDiv1_000489 (CAS 300802-18-0), with molecular formula C27H22BrN3O3 and molecular weight 515.08 g/mol. IUPAC: 3-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of ChemDiv1_000489
Property Insights of ChemDiv1_000489
The XLogP value of 5.6638 indicates that ChemDiv1_000489 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000489. Following Lipinski's Rule of Five, ChemDiv1_000489 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000489?
The CAS number of ChemDiv1_000489 is 300802-18-0.
What is the molecular formula of ChemDiv1_000489?
The molecular formula of ChemDiv1_000489 is C27H22BrN3O3.
What is the molecular weight of ChemDiv1_000489?
The molecular weight of ChemDiv1_000489 is 515.08 g/mol.
Where can I buy ChemDiv1_000489?
You can request a quote for ChemDiv1_000489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000489?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.